ChemSpider 2D Image | Diethyl {(3R,5S)-5-[(5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl]-2-methyl-1,2-oxazolidin-3-yl}phosphonate | C21H26N3O6P

Diethyl {(3R,5S)-5-[(5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl]-2-methyl-1,2-oxazolidin-3-yl}phosphonate

  • Molecular FormulaC21H26N3O6P
  • Average mass447.421 Da
  • Monoisotopic mass447.155914 Da
  • ChemSpider ID58859058

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{(3R,5S)-5-[(5-Amino-1,3-dioxo-1H-benzo[de]isoquinoléin-2(3H)-yl)méthyl]-2-méthyl-1,2-oxazolidin-3-yl}phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {(3R,5S)-5-[(5-amino-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl]-2-methyl-1,2-oxazolidin-3-yl}phosphonate [ACD/IUPAC Name]
Diethyl-{(3R,5S)-5-[(5-amino-1,3-dioxo-1H-benzo[de]isochinolin-2(3H)-yl)methyl]-2-methyl-1,2-oxazolidin-3-yl}phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(3R,5S)-5-[(5-amino-1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)methyl]-2-methyl-3-isoxazolidinyl]-, diethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 642.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.4±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 114.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.07
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.12
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.15
Polar Surface Area: 121 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 320.2±5.0 cm3

Click to predict properties on the Chemicalize site


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